Cephabacin H4; 28-Deoxy
AlkaPlorer ID: AK291888
Synonym: Cephabacin H1
IUPAC Name: 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-(2-aminopropanoylamino)-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC(N)C(O)=NC(CCCNC(=N)N)C(O)CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(N)C(=O)O)C2SC1
InChI: InChI=1S/C25H40N8O10S/c1-11(26)20(37)31-14(5-3-7-30-25(28)29)15(34)8-17(36)43-9-12-10-44-22-18(21(38)33(22)19(12)24(41)42)32-16(35)6-2-4-13(27)23(39)40/h11,13-15,18,22,34H,2-10,26-27H2,1H3,(H,31,37)(H,32,35)(H,39,40)(H,41,42)(H4,28,29,30)
InChIKey: MKRHFAAAIWKSCO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter lactamgenus | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 644.7080000000003
TPSA？: 320.56
MolLogP？: -1.622729999999991
Number of H-Donors: 10
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|